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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3,4,5-trimethoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-55-8
InChIKey: WRZGZIQMGSWMQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H36-F-N3-O4.Cl-H

Molecular Weight

  • 582.1123
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3,4,5-trimethoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-55-8

System Generated Number

  • 0110406558

Molecular Formulas

Molecular Formula

  • C32-H36-F-N3-O4.Cl-H

Molecular Formula Fragments

  • C32-H36-F-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H36FN3O4.ClH/c1-38-29-20-23(21-30(39-2)31(29)40-3)14-17-35-16-6-7-25(15-18-35)36-32(37)27-9-5-4-8-26(27)28(34-36)19-22-10-12-24(33)13-11-22;/h4-5,8-13,20-21,25H,6-7,14-19H2,1-3H3;1H

InChIKey

WRZGZIQMGSWMQW-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)CCN2CCCC(CC2)n3c(=O)c4ccccc4c(n3)Cc5ccc(cc5)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4841047,